Treffer: PyBEST

Title:
PyBEST
Authors:
Filip Brzęk, Rahul Chakraborty, orcid:0000-0003-4086-, Delaram Jahani, Aleksandra Leszczyk, Artur Nowak, Emil Sujkowski, Julian Świerczyński, Katharina Boguslawski, Dariusz Kędziera, Maximilian Kriebel, Paweł Tecmer, Piotr Szymon Żuchowski
Contributors:
Somayeh Ahmadkhani, Kacper Cieślak, Lena Szczuczko
Publisher Information:
Zenodo
Publication Year:
2023
Collection:
Zenodo
Subject Terms:
open-source quantum chemistry software, PyBEST, pCCD-based methods, CCSD, model Hamiltonians, SAPT0, perturbation theory, orbital entanglement, fpCC, tCC, CIS, CID, CISD, IP-pCCD
Document Type:
E-Ressource software
Language:
English
Relation:
https://zenodo.org/records/8103721; oai:zenodo.org:8103721; https://doi.org/10.5281/zenodo.8103721
DOI:
10.5281/zenodo.8103721
Availability:
https://doi.org/10.5281/zenodo.8103721
https://zenodo.org/records/8103721
Rights:
Creative Commons Attribution 4.0 International ; cc-by-4.0 ; https://creativecommons.org/licenses/by/4.0/legalcode
Accession Number:
edsbas.DACC76A8
Database:
BASE

Weitere Informationen

PyBEST is a Pythonic Black-box Electronic Structure Tool, written primarily in the Python programming language with additional parts written in C++ and interfaced using pybind11.